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Trioctanoin (1,1,1-13C3)

Catalog Number ACM65402553-1
CAS 65402-55-3
Structure Structure
Synonyms Glyceryl tri(octanoate-1-13C); 1,2,3-Propanetriol tris(octanoate-1-13C)
IUPAC Name 2,3-di((1-13C)octanoyloxy)propyl (1-13C)octanoate
Molecular Weight 473.66
Molecular Formula 13C3C24H50O6
InChI InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
InChI Key VLPFTAMPNXLGLX-UTXJEHKQSA-N
Boiling Point 233 °C (451 °F) at 1 hPa (1 mmHg) (lit.)
Melting Point 9 °C (48 °F)
Purity 98%
Density 0.956 g/cm3 at 20 °C (68 °F)
Appearance Light yellow clear liquid
Isomeric SMILES CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC
Isotopic Enrichment 99 atom % 13C
Stability Stable if stored under recommended conditions.
Unlabeled CAS 538-23-8
Unlabeled Synonyms 1,2,3-Tricapryloylglycerol; Glycerol tricaprylate; Tricaprylin; Glycerol trioctanoate; Glycerol tricaprylate; 1,2,3-Trioctanoylglycerol; Tricaprylin
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